N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C14H24N4 — CID 63109378

IUPACN-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cnc[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N4/c1-2-5-18(9-13-8-15-10-16-13)14-6-11-3-4-12(7-14)17-11/h8,10-12,14,17H,2-7,9H2,1H3,(H,15,16)
InChIKeyCNYNWLDMAWTYOV-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.90
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63109378) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63109378
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cnc[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N4/c1-2-5-18(9-13-8-15-10-16-13)14-6-11-3-4-12(7-14)17-11/h8,10-12,14,17H,2-7,9H2,1H3,(H,15,16)
InChIKeyCNYNWLDMAWTYOV-UHFFFAOYSA-N
XLogP1.90
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-ethyl-N-(1H-imidazol-5-ylmethyl)piperidin-4-amine
CID 63109350
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
N-propyl-N-(2-pyridin-3-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63262796
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62891457
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64771331
N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62470924
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 80607489
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63985516
N-[(2,4-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232072

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 63109378) is N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1cnc[nH]1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CNYNWLDMAWTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-5-18(9-13-8-15-10-16-13)14-6-11-3-4-12(7-14)17-11/h8,10-12,14,17H,2-7,9H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63109378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).